Geometry & MOs

Info

ID:	233052
PubChem CID:	87691927
Reduced:	ON3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	647.037569
ΔH_f, kcal/mol:	-24.62
Dipole, Da:	3.03
IP(EA), eV:	-8.38(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[8-chloro-2-(2-chlorophenyl)quinolin-3-yl]methyl]-7H-purin-6-amine;2,8-dichloroquinoline-3-carbaldehyde

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)C(C=O)C3=CC4=C(CNCC4)C=C3

DOS

IR

Vibrations